BDBM50339874 2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile::CHEMBL1761455

SMILES: Cc1c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CC#N

InChI Key: InChIKey=OZRJTNXVIRAQAD-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50339874   

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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50339874 (2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)p...) Show SMILES Cc1c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CC#N Show InChI InChI=1S/C27H24N6S/c1-18-25(21-8-4-12-29-26(21)33(18)15-11-28)20-7-5-14-32(17-20)27-30-13-10-22(31-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-10,12-13,16,20H,5,7,14-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin				Bioorg Med Chem Lett 21: 2492-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.052 BindingDB Entry DOI: 10.7270/Q2BG2P9M
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50339874 (2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)p...) Show SMILES Cc1c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CC#N Show InChI InChI=1S/C27H24N6S/c1-18-25(21-8-4-12-29-26(21)33(18)15-11-28)20-7-5-14-32(17-20)27-30-13-10-22(31-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-10,12-13,16,20H,5,7,14-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Reversible inhibition of human FAAH				Bioorg Med Chem Lett 21: 4674-85 (2011) Article DOI: 10.1016/j.bmcl.2011.06.096 BindingDB Entry DOI: 10.7270/Q2W959JK
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50339874 (2-(3-(1-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-yl)p...) Show SMILES Cc1c(C2CCCN(C2)c2nccc(n2)-c2cc3ccccc3s2)c2cccnc2n1CC#N Show InChI InChI=1S/C27H24N6S/c1-18-25(21-8-4-12-29-26(21)33(18)15-11-28)20-7-5-14-32(17-20)27-30-13-10-22(31-27)24-16-19-6-2-3-9-23(19)34-24/h2-4,6,8-10,12-13,16,20H,5,7,14-15,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as hydrolysis of anandamidoaminomethylcumarin				Bioorg Med Chem Lett 21: 2492-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.052 BindingDB Entry DOI: 10.7270/Q2BG2P9M
					More data for this Ligand-Target Pair