Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50342029'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50342029 (2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccccc1N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H71N11O13S2/c1-31(2)25-38-49(73)63-41(28-44(56)67)52(76)64-42(30-80-79-24-21-45(68)59-39(27-33-17-19-34(66)20-18-33)50(74)62-40(51(75)61-38)26-32-11-4-3-5-12-32)54(78)65-23-10-16-43(65)53(77)60-37(48(72)58-29-46(69)70)15-8-9-22-57-47(71)35-13-6-7-14-36(35)55/h3-7,11-14,17-20,31,37-43,66H,8-10,15-16,21-30,55H2,1-2H3,(H2,56,67)(H,57,71)(H,58,72)(H,59,68)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,69,70)/t37-,38-,39-,40-,41-,42-,43-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins				J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50342029 (2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccccc1N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H71N11O13S2/c1-31(2)25-38-49(73)63-41(28-44(56)67)52(76)64-42(30-80-79-24-21-45(68)59-39(27-33-17-19-34(66)20-18-33)50(74)62-40(51(75)61-38)26-32-11-4-3-5-12-32)54(78)65-23-10-16-43(65)53(77)60-37(48(72)58-29-46(69)70)15-8-9-22-57-47(71)35-13-6-7-14-36(35)55/h3-7,11-14,17-20,31,37-43,66H,8-10,15-16,21-30,55H2,1-2H3,(H2,56,67)(H,57,71)(H,58,72)(H,59,68)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,69,70)/t37-,38-,39-,40-,41-,42-,43-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity to human vasopressin V1b receptor expressed CHO cells after 1 hr by spectrofluorimetry analysis				J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50342029 (2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccccc1N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H71N11O13S2/c1-31(2)25-38-49(73)63-41(28-44(56)67)52(76)64-42(30-80-79-24-21-45(68)59-39(27-33-17-19-34(66)20-18-33)50(74)62-40(51(75)61-38)26-32-11-4-3-5-12-32)54(78)65-23-10-16-43(65)53(77)60-37(48(72)58-29-46(69)70)15-8-9-22-57-47(71)35-13-6-7-14-36(35)55/h3-7,11-14,17-20,31,37-43,66H,8-10,15-16,21-30,55H2,1-2H3,(H2,56,67)(H,57,71)(H,58,72)(H,59,68)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,69,70)/t37-,38-,39-,40-,41-,42-,43-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.48	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Agonist activity at human vasopressin V1b receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol ph...				J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ
					More data for this Ligand-Target Pair