BDBM230656 US9340517, 105

SMILES: NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O

InChI Key: InChIKey=DKFQXTHTGAKMJQ-XLJNKUFUSA-N

Data: 8 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 8 hits for monomerid = 230656   

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
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	37
Mimetica PTY LTD US Patent					Assay Description Assessments of compound binding to human MC5R (hMC5R)) by displacement of an 125I-labeled NDP-MSH receptor ligand peptide were performed essentially ...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	7.4	37
Mimetica PTY LTD US Patent					Assay Description Assessments of compound binding to human MC5R (hMC5R)) by displacement of an 125I-labeled NDP-MSH receptor ligand peptide were performed essentially ...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	7.4	37
Mimetica PTY LTD US Patent					Assay Description Assessments of compound binding to human MC5R (hMC5R)) by displacement of an 125I-labeled NDP-MSH receptor ligand peptide were performed essentially ...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	7.4	4
Mimetica PTY LTD US Patent					Assay Description Radioligand binding assays were carried out using commercial or in-house prepared hMC1R, hMC3R and hMC4R membranes and [125I] NDP-MSH, as per the hMC...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Macaca fascicularis (Cynomolgus monkey))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mimetica PTY LTD US Patent					Assay Description Radioligand binding and cAMP assays were also conducted using membranes and cells expressing MC5R cloned from other species (mouse MC5R membranes wer...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	7.4	4
Mimetica PTY LTD US Patent					Assay Description Radioligand binding assays were carried out using commercial or in-house prepared hMC1R, hMC3R and hMC4R membranes and [125I] NDP-MSH, as per the hMC...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	7.4	4
Mimetica PTY LTD US Patent					Assay Description Radioligand binding assays were carried out using commercial or in-house prepared hMC1R, hMC3R and hMC4R membranes and [125I] NDP-MSH, as per the hMC...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM230656 (US9340517, 105) Show SMILES NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O Show InChI InChI=1S/C35H40N6O2/c36-35(37)38-20-9-16-32-34(43)41(24-31(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-19-30(40-32)23-39-33(42)29-18-17-25-10-7-8-15-28(25)22-29/h1-8,10-15,17-18,22,30-32,40H,9,16,19-21,23-24H2,(H,39,42)(H4,36,37,38)/t30-,32-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mimetica PTY LTD US Patent					Assay Description Radioligand binding and cAMP assays were also conducted using membranes and cells expressing MC5R cloned from other species (mouse MC5R membranes wer...				US Patent US9340517 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J8X
					More data for this Ligand-Target Pair