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39 similar compounds to monomer 50231569

Compile data set for download or QSAR
Wt: 1021.1
BDBM50321726		Wt: 568.0
BDBM50223882		Wt: 397.4
BDBM50211727		Wt: 495.5
BDBM50231573		Wt: 523.0
BDBM50231546
Wt: 521.0
BDBM50231552		Wt: 444.3
BDBM50231563		Wt: 524.0
BDBM50231541		Wt: 511.0
BDBM50231551		Wt: 517.0
BDBM50231553
Wt: 535.0
BDBM50231555		Wt: 496.9
BDBM50231560		Wt: 523.6
BDBM50231572		Wt: 4253.6
BDBM50231579		Wt: 4253.6
BDBM50231576
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50321726,50223882,50211727,50231573,50231546,50231552,50231563,50231541,50231551,50231553,50231555,50231560,50231572,50231579,50231576   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50231576
PNG
(CHEMBL2311081)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138+,139-,149-,150-,151-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.700n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y2 receptor on SK-N-BE2 human neuroblastoma cells

J Med Chem 36: 3802-8 (1994)


Article DOI: 10.1021/jm00076a007
BindingDB Entry DOI: 10.7270/Q28K784Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50231579
PNG
(CHEMBL3349341)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139+,149-,150-,151-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.60n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y2 receptor on SK-N-BE2 human neuroblastoma cells

J Med Chem 36: 3802-8 (1994)


Article DOI: 10.1021/jm00076a007
BindingDB Entry DOI: 10.7270/Q28K784Q
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)		BDBM50231573
PNG
(CHEMBL3350846)
Show SMILES CCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C27H36F3NO4/c1-5-6-7-8-9-10-11-14-17-35-26(33)23-19(3)31-18(2)22(25(32)34-4)24(23)20-15-12-13-16-21(20)27(28,29)30/h12-13,15-16,24,31H,5-11,14,17H2,1-4H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 14n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes

J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)		BDBM50231572
PNG
(CHEMBL3350844)
Show SMILES CCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C29H40F3NO4/c1-5-6-7-8-9-10-11-12-13-16-19-37-28(35)25-21(3)33-20(2)24(27(34)36-4)26(25)22-17-14-15-18-23(22)29(30,31)32/h14-15,17-18,26,33H,5-13,16,19H2,1-4H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes

J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50231576
PNG
(CHEMBL2311081)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138+,139-,149-,150-,151-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 42n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y1 receptor on SK-N-MC human neuroblastoma cells

J Med Chem 36: 3802-8 (1994)


Article DOI: 10.1021/jm00076a007
BindingDB Entry DOI: 10.7270/Q28K784Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50231579
PNG
(CHEMBL3349341)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139+,149-,150-,151-/m0/s1
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 260n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y1 receptor on SK-N-MC human neuroblastoma cells

J Med Chem 36: 3802-8 (1994)


Article DOI: 10.1021/jm00076a007
BindingDB Entry DOI: 10.7270/Q28K784Q
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))		BDBM50211727
PNG
(CHEMBL3974614)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c22-17-15(16(18(23)24)20-19(25)21-17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,23,24)(H2,20,21,22,25)
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 485n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...

Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)		BDBM50223882
PNG
(CHEMBL434586)
Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)N1C(=O)C(=C(C1=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H30ClN3O4/c1-3-4-15-27-35-31(34)26(20-28(38)41-2)36(27)21-22-16-18-25(19-17-22)37-32(39)29(23-11-7-5-8-12-23)30(33(37)40)24-13-9-6-10-14-24/h5-14,16-19H,3-4,15,20-21H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



E. I. du Pont de Nemours & Company, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor

J Med Chem 33: 1312-29 (1990)


Article DOI: 10.1021/jm00167a007
BindingDB Entry DOI: 10.7270/Q2TM7DCT
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))		BDBM50211727
PNG
(CHEMBL3974614)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c22-17-15(16(18(23)24)20-19(25)21-17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,23,24)(H2,20,21,22,25)
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n/an/a 0.970n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...

Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES CCCCCC(=O)NC(CCC([O-])=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)N2C(O)CCC(NC(=O)C(CCC[NH+]=C(N)N)NC1=O)C2=O)C(C)C
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a 490n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of plasmin

J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))		BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES CCCCCC(=O)NC(CCC([O-])=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)N2C(O)CCC(NC(=O)C(CCC[NH+]=C(N)N)NC1=O)C2=O)C(C)C
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a 3.90n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of factor 11a

J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))		BDBM50231560
PNG
(CHEMBL1203083)
Show SMILES Cl.Oc1nc2cc3cc(OCCCNC(=O)N4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H28N6O3/c32-24-28-22-16-19-15-20(7-8-21(19)27-23(22)29-24)34-14-4-9-26-25(33)31-12-10-30(11-13-31)17-18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14,17H2,(H,26,33)(H2,27,28,29,32)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro

J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))		BDBM50231541
PNG
(CHEMBL1203069)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)N4CCN(CC5CCCCC5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C24H33N5O4S/c30-24-26-22-16-19-15-20(7-8-21(19)25-23(22)27-24)33-13-4-14-34(31,32)29-11-9-28(10-12-29)17-18-5-2-1-3-6-18/h7-8,15-16,18H,1-6,9-14,17H2,(H2,25,26,27,30)
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n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro

J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))		BDBM50231551
PNG
(CHEMBL1203086)
Show SMILES Cl.CCC(CC)CN1CCC(CC1)S(=O)(=O)CCCOc1ccc2[nH]c3nc(O)nc3cc2c1
Show InChI InChI=1S/C24H34N4O4S/c1-3-17(4-2)16-28-10-8-20(9-11-28)33(30,31)13-5-12-32-19-6-7-21-18(14-19)15-22-23(25-21)27-24(29)26-22/h6-7,14-15,17,20H,3-5,8-13,16H2,1-2H3,(H2,25,26,27,29)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro

J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))		BDBM50231552
PNG
(CHEMBL1203031)
Show SMILES Cl.Oc1nc2cc3cc(OCCCc4nnnn4C4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C26H28N8O2/c35-26-28-23-16-19-15-21(8-9-22(19)27-25(23)29-26)36-14-4-7-24-30-31-32-34(24)20-10-12-33(13-11-20)17-18-5-2-1-3-6-18/h1-3,5-6,8-9,15-16,20H,4,7,10-14,17H2,(H2,27,28,29,35)
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n/an/a 0.840n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro

J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))		BDBM50231555
PNG
(CHEMBL1203084)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)C4CCN(Cc5ccc(F)cc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H27FN4O4S/c26-19-4-2-17(3-5-19)16-30-10-8-21(9-11-30)35(32,33)13-1-12-34-20-6-7-22-18(14-20)15-23-24(27-22)29-25(31)28-23/h2-7,14-15,21H,1,8-13,16H2,(H2,27,28,29,31)
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n/an/a>10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human blood platelet c-AMP phosphodiesterase

J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))		BDBM50231553
PNG
(CHEMBL1203032)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)C4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H28N4O4S/c30-25-27-23-16-19-15-20(7-8-22(19)26-24(23)28-25)33-13-4-14-34(31,32)21-9-11-29(12-10-21)17-18-5-2-1-3-6-18/h1-3,5-8,15-16,21H,4,9-14,17H2,(H2,26,27,28,30)
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n/an/a 0.630n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro

J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))		BDBM50231546
PNG
(CHEMBL1203024)
Show SMILES Cl.Oc1nc2cc3cc(OCCCS(=O)(=O)C4CCN(CC5CCCCC5)CC4)ccc3[nH]c2n1
Show InChI InChI=1S/C25H34N4O4S/c30-25-27-23-16-19-15-20(7-8-22(19)26-24(23)28-25)33-13-4-14-34(31,32)21-9-11-29(12-10-21)17-18-5-2-1-3-6-18/h7-8,15-16,18,21H,1-6,9-14,17H2,(H2,26,27,28,30)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet aggregation cAMP PDE in vitro

J Med Chem 36: 3251-64 (1993)


Article DOI: 10.1021/jm00074a005
BindingDB Entry DOI: 10.7270/Q289184P
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))		BDBM50231563
PNG
(CHEMBL326068)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(Cc2ccc(Br)cc2)C(=O)C1
Show InChI InChI=1S/C23H26BrNO3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15H2,1H3/t18-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of partially-purified PDE 4 from human monocytes

J Med Chem 36: 3274-7 (1993)


Article DOI: 10.1021/jm00074a007
BindingDB Entry DOI: 10.7270/Q24M96RT
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES CCCCCC(=O)NC(CCC([O-])=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)N2C(O)CCC(NC(=O)C(CCC[NH+]=C(N)N)NC1=O)C2=O)C(C)C
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human tissue plasminogen activator

J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES CCCCCC(=O)NC(CCC([O-])=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)N2C(O)CCC(NC(=O)C(CCC[NH+]=C(N)N)NC1=O)C2=O)C(C)C
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of thrombin

J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50321726
PNG
(CHEMBL1172449 | cyanopeptolin 1020)
Show SMILES CCCCCC(=O)NC(CCC([O-])=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)N2C(O)CCC(NC(=O)C(CCC[NH+]=C(N)N)NC1=O)C2=O)C(C)C
Show InChI InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)
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n/an/a>6.05E+5n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human LMW urokinase

J Nat Prod 73: 980-4 (2010)


Article DOI: 10.1021/np900818c
BindingDB Entry DOI: 10.7270/Q29P31TM
More data for this
Ligand-Target Pair