BDBM50119813 1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyclo[11.2.1.02,12.04,9]hexadeca-4(9),5,7-trien-10-ylcarbonyl]phenyl}-2-trifluoromethylbenzamide::CHEMBL320416

SMILES: FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12

InChI Key: InChIKey=PKCVDMJTPNQZEX-WHJRKYDLSA-N

Data: 2 KI  2 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 = 50119813   

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))	BDBM50119813 (1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25| Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor				Bioorg Med Chem Lett 12: 3081-4 (2002) BindingDB Entry DOI: 10.7270/Q22N51NM
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50119813 (1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25| Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 12: 3081-4 (2002) BindingDB Entry DOI: 10.7270/Q22N51NM
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50119813 (1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25| Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor				Bioorg Med Chem Lett 12: 3081-4 (2002) BindingDB Entry DOI: 10.7270/Q22N51NM
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50119813 (1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...) Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25| Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor				Bioorg Med Chem Lett 12: 3081-4 (2002) BindingDB Entry DOI: 10.7270/Q22N51NM
					More data for this Ligand-Target Pair