BDBM50175196 A-770041::CHEMBL197603::N-(4-(1-(4-(4-acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide::N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE

SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12

InChI Key InChIKey=ZMNWFTYYYCSSTF-SOAUALDESA-N

Data  22 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50175196   

TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 147nMAssay Description:Inhibitory activity against lckMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase LCK(Mus musculus)
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataEC50:  78nMAssay Description:Inhibition of TCR stimulated IL2 production in mice administered orallyMore data for this Ligand-Target Pair
TargetO94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against PKCMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 11/12/13/14(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against p38More data for this Ligand-Target Pair
TargetInhibitor of nuclear factor kappa-B kinase subunit alpha(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against IKK1More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lyn(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibitory activity against lynMore data for this Ligand-Target Pair
TargetMAP kinase-activated protein kinase 2(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against MK2More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Fgr(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 1.41E+4nMAssay Description:Inhibitory activity against fgrMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against SykMore data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against IRAK4More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 8(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against COTMore data for this Ligand-Target Pair
TargetAngiopoietin-1 receptor(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory activity against tie2More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 9.05E+3nMAssay Description:Inhibitory activity against srcMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory activity against kdrMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against TYK2More data for this Ligand-Target Pair
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against IKK2More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 80nMAssay Description:Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole bloodMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against JAK3More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ZAP-70(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against ZAP70More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Fyn(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 4.41E+4nMAssay Description:Inhibitory activity against fynMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against ITKMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase HCK(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 1.22E+3nMAssay Description:Inhibitory activity against hckMore data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Homo sapiens (Human))
Abbott Bioresearch Center

Curated by ChEMBL
LigandPNGBDBM50175196(A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpipe...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)/t24-,25-
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory activity against PKAMore data for this Ligand-Target Pair