BDBM50117627 CHEMBL3613614

SMILES: COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1

InChI Key: InChIKey=NEAFSODAYAUEGX-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50117627   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50117627 (CHEMBL3613614) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C20H22N6O3/c1-29-18(27)13-3-2-4-14(11-13)25-19(28)20(21)6-9-26(10-7-20)17-15-5-8-22-16(15)23-12-24-17/h2-5,8,11-12H,6-7,9-10,21H2,1H3,(H,25,28)(H,22,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of LIMK1 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50117627 (CHEMBL3613614) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C20H22N6O3/c1-29-18(27)13-3-2-4-14(11-13)25-19(28)20(21)6-9-26(10-7-20)17-15-5-8-22-16(15)23-12-24-17/h2-5,8,11-12H,6-7,9-10,21H2,1H3,(H,25,28)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50117627 (CHEMBL3613614) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C20H22N6O3/c1-29-18(27)13-3-2-4-14(11-13)25-19(28)20(21)6-9-26(10-7-20)17-15-5-8-22-16(15)23-12-24-17/h2-5,8,11-12H,6-7,9-10,21H2,1H3,(H,25,28)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of LIMK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50117627 (CHEMBL3613614) Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C20H22N6O3/c1-29-18(27)13-3-2-4-14(11-13)25-19(28)20(21)6-9-26(10-7-20)17-15-5-8-22-16(15)23-12-24-17/h2-5,8,11-12H,6-7,9-10,21H2,1H3,(H,25,28)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of PKA (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair