BDBM50453150 CHEMBL2372420

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=LMPRIVBNRCUGFQ-VSANGWNWSA-N

Data: 2 Kd

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 2 hits for monomerid = 50453150   

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 receptor (RAT)	BDBM50453150 (CHEMBL2372420) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C53H70N12O13S2/c1-30(2)45-52(75)61-40(28-43(55)67)49(72)62-41(53(76)64-23-8-12-42(64)51(74)58-36(11-6-7-22-54)47(70)59-37(46(56)69)25-33-15-19-35(66)20-16-33)29-80-79-24-21-44(68)57-38(27-32-13-17-34(18-14-32)65(77)78)48(71)60-39(50(73)63-45)26-31-9-4-3-5-10-31/h3-5,9-10,13-20,30,36-42,45,66H,6-8,11-12,21-29,54H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,68)(H,58,74)(H,59,70)(H,60,71)(H,61,75)(H,62,72)(H,63,73)/t36-,37+,38-,39-,40-,41-,42-,45-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
University of Sherbrooke Curated by ChEMBL					Assay Description Negative log of Kd.				J Med Chem 35: 151-7 (1992) BindingDB Entry DOI: 10.7270/Q2668DT9
					More data for this Ligand-Target Pair
AVPR1A (RAT)	BDBM50453150 (CHEMBL2372420) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C53H70N12O13S2/c1-30(2)45-52(75)61-40(28-43(55)67)49(72)62-41(53(76)64-23-8-12-42(64)51(74)58-36(11-6-7-22-54)47(70)59-37(46(56)69)25-33-15-19-35(66)20-16-33)29-80-79-24-21-44(68)57-38(27-32-13-17-34(18-14-32)65(77)78)48(71)60-39(50(73)63-45)26-31-9-4-3-5-10-31/h3-5,9-10,13-20,30,36-42,45,66H,6-8,11-12,21-29,54H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,68)(H,58,74)(H,59,70)(H,60,71)(H,61,75)(H,62,72)(H,63,73)/t36-,37+,38-,39-,40-,41-,42-,45-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
University of Sherbrooke Curated by ChEMBL					Assay Description Binding potency against Vasopressin V1 receptor in rat liver cells.				J Med Chem 35: 151-7 (1992) BindingDB Entry DOI: 10.7270/Q2668DT9
					More data for this Ligand-Target Pair