BDBM50302371 1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-morpholin-4-yl-methanone::CHEMBL567911

SMILES: Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12

InChI Key: InChIKey=SFQQUBOFNDDLMP-UHFFFAOYSA-N

Data: 5 IC50  2 EC50

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 7 hits for monomerid = 50302371   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50302371 (1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...) Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50302371 (1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...) Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50302371 (1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...) Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50302371 (1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...) Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50302371 (1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...) Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50302371 (1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...) Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50302371 (1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...) Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12 Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 52: 5785-8 (2009) Article DOI: 10.1021/jm9009857 BindingDB Entry DOI: 10.7270/Q20R9PG5
					More data for this Ligand-Target Pair