BDBM50299334 (1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate::CHEMBL577816

SMILES: Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12

InChI Key: InChIKey=WYNIZCUIDXTOCU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50299334   

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
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299334 ((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquin...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12 Show InChI InChI=1S/C27H30ClN3O4S2/c28-21-8-11-25(12-9-21)37(33,34)31-23(10-7-20-4-1-2-6-26(20)31)19-35-27(32)30-15-13-22(14-16-30)29-18-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin receptor (RAT)	BDBM50299334 ((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquin...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12 Show InChI InChI=1S/C27H30ClN3O4S2/c28-21-8-11-25(12-9-21)37(33,34)31-23(10-7-20-4-1-2-6-26(20)31)19-35-27(32)30-15-13-22(14-16-30)29-18-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50299334 ((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquin...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12 Show InChI InChI=1S/C27H30ClN3O4S2/c28-21-8-11-25(12-9-21)37(33,34)31-23(10-7-20-4-1-2-6-26(20)31)19-35-27(32)30-15-13-22(14-16-30)29-18-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair