BDBM50345140 (R)-5-chloro-3-(5-((dimethylamino)methyl)-2-methoxyphenyl)-1-(4-methoxyphenylsulfonyl)-3-((S)-2-(oxazol-2-yl)pyrrolidin-1-yl)indolin-2-one::CHEMBL1779418

SMILES: COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN(C)C)ccc1OC

InChI Key: InChIKey=OAIPTJXKMLWSCX-GMCHKSTQSA-N

Data: 4 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 4 hits for monomerid = 50345140   

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))	BDBM50345140 ((R)-5-chloro-3-(5-((dimethylamino)methyl)-2-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN(C)C)ccc1OC |r| Show InChI InChI=1S/C32H33ClN4O6S/c1-35(2)20-21-7-14-29(42-4)26(18-21)32(36-16-5-6-28(36)30-34-15-17-43-30)25-19-22(33)8-13-27(25)37(31(32)38)44(39,40)24-11-9-23(41-3)10-12-24/h7-15,17-19,28H,5-6,16,20H2,1-4H3/t28-,32+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50345140 ((R)-5-chloro-3-(5-((dimethylamino)methyl)-2-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN(C)C)ccc1OC |r| Show InChI InChI=1S/C32H33ClN4O6S/c1-35(2)20-21-7-14-29(42-4)26(18-21)32(36-16-5-6-28(36)30-34-15-17-43-30)25-19-22(33)8-13-27(25)37(31(32)38)44(39,40)24-11-9-23(41-3)10-12-24/h7-15,17-19,28H,5-6,16,20H2,1-4H3/t28-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of radiolebelled oxytocin from human oxytocin receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50345140 ((R)-5-chloro-3-(5-((dimethylamino)methyl)-2-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN(C)C)ccc1OC |r| Show InChI InChI=1S/C32H33ClN4O6S/c1-35(2)20-21-7-14-29(42-4)26(18-21)32(36-16-5-6-28(36)30-34-15-17-43-30)25-19-22(33)8-13-27(25)37(31(32)38)44(39,40)24-11-9-23(41-3)10-12-24/h7-15,17-19,28H,5-6,16,20H2,1-4H3/t28-,32+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50345140 ((R)-5-chloro-3-(5-((dimethylamino)methyl)-2-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN(C)C)ccc1OC |r| Show InChI InChI=1S/C32H33ClN4O6S/c1-35(2)20-21-7-14-29(42-4)26(18-21)32(36-16-5-6-28(36)30-34-15-17-43-30)25-19-22(33)8-13-27(25)37(31(32)38)44(39,40)24-11-9-23(41-3)10-12-24/h7-15,17-19,28H,5-6,16,20H2,1-4H3/t28-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
					More data for this Ligand-Target Pair