BindingDB logo
myBDB logout

11 similar compounds to monomer 50230124

Compile data set for download or QSAR
Wt: 605.6
BDBM50230132
Wt: 178.2
BDBM50229683
Wt: 332.8
BDBM50230111
Wt: 408.9
BDBM50230112
Wt: 258.1
BDBM50229685
Wt: 1204.8
BDBM50230119
Wt: 1219.4
BDBM50230121
Wt: 1200.3
BDBM50230122
Wt: 1292.4
BDBM50230127
Wt: 193.2
BDBM50229673
Wt: 601.6
BDBM50230131

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50230132,50229683,50230111,50230112,50229685,50230119,50230121,50230122,50230127,50229673,50230131   
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
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230127
PNG
(CHEMBL407606)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C67H85N15O12/c1-4-70-65(93)56-21-13-29-82(56)66(94)49(20-12-28-71-67(68)69)75-59(87)50(30-38(2)3)76-62(90)53(33-41-35-72-46-18-10-8-16-44(41)46)79-61(89)52(32-40-22-24-43(84)25-23-40)78-64(92)55(37-83)81-63(91)54(34-42-36-73-47-19-11-9-17-45(42)47)80-60(88)51(31-39-14-6-5-7-15-39)77-58(86)48-26-27-57(85)74-48/h5-11,14-19,22-25,35-36,38,48-56,72-73,83-84H,4,12-13,20-21,26-34,37H2,1-3H3,(H,70,93)(H,74,85)(H,75,87)(H,76,90)(H,77,86)(H,78,92)(H,79,89)(H,80,88)(H,81,91)(H4,68,69,71)/t48-,49-,50-,51-,52-,53+,54-,55-,56+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0245n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay


J Med Chem 35: 3890-4 (1992)


Article DOI: 10.1021/jm00099a017
BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230122
PNG
(CHEMBL415571)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C58H85N15O13/c1-7-62-56(84)47-11-9-23-73(47)57(85)40(10-8-22-63-58(59)60)66-50(78)41(24-32(2)3)67-51(79)42(25-33(4)5)68-52(80)43(26-34-12-16-37(75)17-13-34)70-55(83)46(30-74)72-53(81)44(27-35-14-18-38(86-6)19-15-35)69-54(82)45(28-36-29-61-31-64-36)71-49(77)39-20-21-48(76)65-39/h12-19,29,31-33,39-47,74-75H,7-11,20-28,30H2,1-6H3,(H,61,64)(H,62,84)(H,65,76)(H,66,78)(H,67,79)(H,68,80)(H,69,82)(H,70,83)(H,71,77)(H,72,81)(H4,59,60,63)/t39-,40-,41-,42+,43-,44-,45-,46-,47+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.155n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay


J Med Chem 35: 3890-4 (1992)


Article DOI: 10.1021/jm00099a017
BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230121
PNG
(CHEMBL217405)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C62H86N14O12/c1-6-65-60(87)51-19-13-27-76(51)61(88)44(18-12-26-66-62(63)64)69-54(81)45(28-35(2)3)70-55(82)46(29-36(4)5)71-56(83)48(31-38-20-22-40(78)23-21-38)73-59(86)50(34-77)75-58(85)49(32-39-33-67-42-17-11-10-16-41(39)42)74-57(84)47(30-37-14-8-7-9-15-37)72-53(80)43-24-25-52(79)68-43/h7-11,14-17,20-23,33,35-36,43-51,67,77-78H,6,12-13,18-19,24-32,34H2,1-5H3,(H,65,87)(H,68,79)(H,69,81)(H,70,82)(H,71,83)(H,72,80)(H,73,86)(H,74,84)(H,75,85)(H4,63,64,66)/t43-,44-,45-,46+,47-,48-,49-,50-,51+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay


J Med Chem 35: 3890-4 (1992)


Article DOI: 10.1021/jm00099a017
BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50230131
PNG
(SKF-107260)
Show SMILES CN1[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O
Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-107260 binding to purified Fibrinogen receptor of human platelets


J Med Chem 35: 3970-2 (1992)


Article DOI: 10.1021/jm00099a027
BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230119
PNG
(CHEMBL414071)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C57H82ClN15O12/c1-6-62-55(84)46-10-8-22-73(46)56(85)39(9-7-21-63-57(59)60)66-49(78)40(23-31(2)3)67-50(79)41(24-32(4)5)68-51(80)42(26-34-13-17-37(75)18-14-34)70-54(83)45(29-74)72-52(81)43(25-33-11-15-35(58)16-12-33)69-53(82)44(27-36-28-61-30-64-36)71-48(77)38-19-20-47(76)65-38/h11-18,28,30-32,38-46,74-75H,6-10,19-27,29H2,1-5H3,(H,61,64)(H,62,84)(H,65,76)(H,66,78)(H,67,79)(H,68,80)(H,69,82)(H,70,83)(H,71,77)(H,72,81)(H4,59,60,63)/t38-,39-,40-,41+,42-,43-,44-,45-,46+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay


J Med Chem 35: 3890-4 (1992)


Article DOI: 10.1021/jm00099a017
BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50230132
PNG
(CHEMBL324568 | SKF-106760)
Show SMILES CN1[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(C)=O)C1=O)C(N)=O
Show InChI InChI=1S/C21H35N9O8S2/c1-10(31)27-13-9-40-39-8-12(17(22)35)29-18(36)11(6-16(33)34)28-15(32)7-26-19(37)14(30(2)20(13)38)4-3-5-25-21(23)24/h11-14H,3-9H2,1-2H3,(H2,22,35)(H,26,37)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H4,23,24,25)/t11-,12-,13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
175n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma


J Med Chem 35: 3970-2 (1992)


Article DOI: 10.1021/jm00099a027
BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229685
PNG
(CHEMBL311212)
Show SMILES Brc1nnn(n1)C12CCN(C1)CCC2
Show InChI InChI=1/C8H12BrN5/c9-7-10-12-14(11-7)8-2-1-4-13(6-8)5-3-8/h1-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 279n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex Muscarinic acetylcholine receptor


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229685
PNG
(CHEMBL311212)
Show SMILES Brc1nnn(n1)C12CCN(C1)CCC2
Show InChI InChI=1/C8H12BrN5/c9-7-10-12-14(11-7)8-2-1-4-13(6-8)5-3-8/h1-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex Muscarinic acetylcholine receptor


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229673
PNG
(CHEMBL311703)
Show SMILES Cc1nnn(n1)C12CCN(C1)CCC2
Show InChI InChI=1/C9H15N5/c1-8-10-12-14(11-8)9-3-2-5-13(7-9)6-4-9/h2-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229683
PNG
(CHEMBL79020)
Show SMILES Cn1ncc(n1)[C@@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C9H14N4/c1-12-10-4-9(11-12)8-6-13-3-2-7(8)5-13/h4,7-8H,2-3,5-6H2,1H3/t7-,8+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229673
PNG
(CHEMBL311703)
Show SMILES Cc1nnn(n1)C12CCN(C1)CCC2
Show InChI InChI=1/C9H15N5/c1-8-10-12-14(11-8)9-3-2-5-13(7-9)6-4-9/h2-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.93E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50230132
PNG
(CHEMBL324568 | SKF-106760)
Show SMILES CN1[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(C)=O)C1=O)C(N)=O
Show InChI InChI=1S/C21H35N9O8S2/c1-10(31)27-13-9-40-39-8-12(17(22)35)29-18(36)11(6-16(33)34)28-15(32)7-26-19(37)14(30(2)20(13)38)4-3-5-25-21(23)24/h11-14H,3-9H2,1-2H3,(H2,22,35)(H,26,37)(H,27,31)(H,28,32)(H,29,36)(H,33,34)(H4,23,24,25)/t11-,12-,13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma


J Med Chem 35: 3970-2 (1992)


Article DOI: 10.1021/jm00099a027
BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50230131
PNG
(SKF-107260)
Show SMILES CN1[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O
Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-107260 binding to purified GPIIb/IIIa of human platelets


J Med Chem 35: 3970-2 (1992)


Article DOI: 10.1021/jm00099a027
BindingDB Entry DOI: 10.7270/Q2V9871V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229683
PNG
(CHEMBL79020)
Show SMILES Cn1ncc(n1)[C@@H]1C[N@@]2CC[C@H]1C2
Show InChI InChI=1S/C9H14N4/c1-12-10-4-9(11-12)8-6-13-3-2-7(8)5-13/h4,7-8H,2-3,5-6H2,1H3/t7-,8+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic receptor.


J Med Chem 35: 2392-406 (1992)


Article DOI: 10.1021/jm00091a007
BindingDB Entry DOI: 10.7270/Q2TF00K5
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230112
PNG
(CHEMBL338690)
Show SMILES CCCCc1ncc(\C(Cc2ccccc2)=C\C(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C24H25ClN2O2/c1-2-3-13-23-26-16-22(27(23)17-19-11-7-8-12-21(19)25)20(15-24(28)29)14-18-9-5-4-6-10-18/h4-12,15-16H,2-3,13-14,17H2,1H3,(H,28,29)/b20-15+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3858-72 (1992)


Article DOI: 10.1021/jm00099a013
BindingDB Entry DOI: 10.7270/Q23T9G4T
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50230111
PNG
(CHEMBL126501)
Show SMILES CCCCc1ncc(\C(C)=C\C(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C18H21ClN2O2/c1-3-4-9-17-20-11-16(13(2)10-18(22)23)21(17)12-14-7-5-6-8-15(14)19/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,23)/b13-10+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3858-72 (1992)


Article DOI: 10.1021/jm00099a013
BindingDB Entry DOI: 10.7270/Q23T9G4T
More data for this
Ligand-Target Pair