BDBM50135417 ((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-2-yl)-acetic acid::CHEMBL341173

SMILES: OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1

InChI Key: InChIKey=NGYIKLFRMYALTL-XMMPIXPASA-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 = 50135417   

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 V2 receptor (Homo sapiens (Human))	BDBM50135417 (((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...) Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells				Bioorg Med Chem Lett 13: 4031-4 (2003) BindingDB Entry DOI: 10.7270/Q23T9GM3
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50135417 (((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...) Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells				Bioorg Med Chem Lett 13: 4031-4 (2003) BindingDB Entry DOI: 10.7270/Q23T9GM3
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50135417 (((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...) Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells				Bioorg Med Chem Lett 13: 4031-4 (2003) BindingDB Entry DOI: 10.7270/Q23T9GM3
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50135417 (((R)-5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2...) Show SMILES OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 Show InChI InChI=1S/C31H26N2O4S/c34-29(35)20-24-18-19-33(27-12-6-7-13-28(27)38-24)31(37)22-14-16-23(17-15-22)32-30(36)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-17,24H,18-20H2,(H,32,36)(H,34,35)/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptor				Bioorg Med Chem Lett 13: 4031-4 (2003) BindingDB Entry DOI: 10.7270/Q23T9GM3
					More data for this Ligand-Target Pair