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BDBM322158 2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)phenoxy)-N-isopropylacetamide TFA salt::US10183931, Example 48

SMILES: CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1

InChI Key: InChIKey=NYHFQHJERQSETO-UHFFFAOYSA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 322158   
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
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
20n/an/an/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 470n/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
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n/an/a 300n/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
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NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 330n/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)

More data for this
Ligand-Target Pair