BDBM50345142 (R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-yl)methyl)phenyl)-1-(4-methoxyphenylsulfonyl)-3-((S)-2-(oxazol-2-yl)pyrrolidin-1-yl)indolin-2-one::CHEMBL1779420

SMILES: COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC

InChI Key: InChIKey=XEJCDFZDXXUIAO-MFACQUFMSA-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 = 50345142   

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))	BDBM50345142 ((R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r| Show InChI InChI=1S/C35H38ClN5O6S/c1-38-16-18-39(19-17-38)23-24-6-13-32(46-3)29(21-24)35(40-15-4-5-31(40)33-37-14-20-47-33)28-22-25(36)7-12-30(28)41(34(35)42)48(43,44)27-10-8-26(45-2)9-11-27/h6-14,20-22,31H,4-5,15-19,23H2,1-3H3/t31-,35+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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))	BDBM50345142 ((R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r| Show InChI InChI=1S/C35H38ClN5O6S/c1-38-16-18-39(19-17-38)23-24-6-13-32(46-3)29(21-24)35(40-15-4-5-31(40)33-37-14-20-47-33)28-22-25(36)7-12-30(28)41(34(35)42)48(43,44)27-10-8-26(45-2)9-11-27/h6-14,20-22,31H,4-5,15-19,23H2,1-3H3/t31-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	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))	BDBM50345142 ((R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r| Show InChI InChI=1S/C35H38ClN5O6S/c1-38-16-18-39(19-17-38)23-24-6-13-32(46-3)29(21-24)35(40-15-4-5-31(40)33-37-14-20-47-33)28-22-25(36)7-12-30(28)41(34(35)42)48(43,44)27-10-8-26(45-2)9-11-27/h6-14,20-22,31H,4-5,15-19,23H2,1-3H3/t31-,35+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	231	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))	BDBM50345142 ((R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC |r| Show InChI InChI=1S/C35H38ClN5O6S/c1-38-16-18-39(19-17-38)23-24-6-13-32(46-3)29(21-24)35(40-15-4-5-31(40)33-37-14-20-47-33)28-22-25(36)7-12-30(28)41(34(35)42)48(43,44)27-10-8-26(45-2)9-11-27/h6-14,20-22,31H,4-5,15-19,23H2,1-3H3/t31-,35+/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