BDBM50082692 5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-propyl}-10-oxo-10,11-dihydro-5H-10lambda*4*-thia-dibenzo[a,d]cycloheptene-5-carbonitrile::CHEMBL143173

SMILES: OC1(CCN(CCCC2(C#N)c3ccccc3CS(=O)c3ccccc23)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=LAVGUXVQFRRLRA-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50082692   

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
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50082692 (5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...) Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CS(=O)c3ccccc23)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29ClN2O2S/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-35(34)27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells				J Med Chem 42: 4680-94 (1999) BindingDB Entry DOI: 10.7270/Q2125TCC
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50082692 (5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl...) Show SMILES OC1(CCN(CCCC2(C#N)c3ccccc3CS(=O)c3ccccc23)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29ClN2O2S/c30-24-12-10-23(11-13-24)29(33)15-18-32(19-16-29)17-5-14-28(21-31)25-7-2-1-6-22(25)20-35(34)27-9-4-3-8-26(27)28/h1-4,6-13,33H,5,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells				J Med Chem 42: 4680-94 (1999) BindingDB Entry DOI: 10.7270/Q2125TCC
					More data for this Ligand-Target Pair